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1,4-Benzodioxin-2-ethanol, 4-methylbenzenesulfonate
SpectraBase Compound ID kyGUfXTTUP
InChI InChI=1S/C17H16O5S/c1-13-6-8-15(9-7-13)23(18,19)21-11-10-14-12-20-16-4-2-3-5-17(16)22-14/h2-9,12H,10-11H2,1H3
InChIKey MDRLFHBJAFKHRT-UHFFFAOYSA-N
Mol Weight 332.37 g/mol
Molecular Formula C17H16O5S
Exact Mass 332.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 56vbTAunvon
Name 1,4-Benzodioxin-2-ethanol, 4-methylbenzenesulfonate
CAS Registry Number 128226-31-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O5S
InChI InChI=1S/C17H16O5S/c1-13-6-8-15(9-7-13)23(18,19)21-11-10-14-12-20-16-4-2-3-5-17(16)22-14/h2-9,12H,10-11H2,1H3
InChIKey MDRLFHBJAFKHRT-UHFFFAOYSA-N
Molecular Weight 332.370 g/mol
SMILES c1(S(=O)(=O)OCCC=2Oc3ccccc3OC2)ccc(cc1)C
SPLASH splash10-00dl-8900000000-d2b1c23e7ea463a29f8e
Source of Spectrum F-46-931-0
Synonyms 2-(1,4-benzodioxin-2-yl)ethyl 4-methylbenzenesulfonate 2-(2-Toluenesulphonyl-1-ethyl)-1,4-benzodioxin 2-(1,4-benzodioxin-3-yl)ethyl 4-methylbenzenesulfonate
Wiley ID 1329239